Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 9-butyl-6-[2-(pyridin-4-yl)ethen-yl]carbazol-3-amine.

ABSTRACT: The asymmetric unit of the title compound, C23H23N3, consists of two mol-ecules, A and B, with different conformations. In mol-ecule A, the dihedral angle between the carbazole ring system (r.m.s. deviation = 0.028?Å) and the pyridine ring is 20.28?(9)° and the N-C-C-C torsion angle of the butyl side chain is -63.4?(3)°. The equivalent data for mol-ecule B are 0.065?Å, 48.28?(11)° and 61.0?(3)°, respectively. In the crystal, the components are connected by weak N-H?N hydrogen bonds, generating [030] C(14) chains of alternating A and B mol-ecules.

SUBMITTER: Zhang P

PROVIDER: S-EPMC4420045 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of 9-butyl-3-(9-butyl-9H-carbazol-3-yl)-9H-carbazole.

Project description:In the title carbazole derivative, C32H32N2, the mol-ecule resides on a crystallographic twofold axis, which runs through the central C-C bond. The carbazole ring system is almost planar, with a maximum deviation of 0.041?(1)?Å for one of the ring-junction C atoms. The crystal packing is stabilized by C-H?? inter-actions only, which form a C(7) chain-like arrangement along [110] in the unit cell.

| S-EPMC4257394 | biostudies-literature

Crystal structure of (pyridin-2-yl-methyl-idene)(tri-phenyl-meth-yl)amine.

Project description:The title Schiff base compound, C25H20N2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the imine group is approximately coplanar with the pyridine ring, with N-C-C-N torsion angles of 170.1?(3) and -172.0?(3)?Å. In the crystal, A and B dimers are linked by pairs of C-H?? inter-actions and further C-H?? bonds link the dimers into a three-dimensional network.

| S-EPMC4257176 | biostudies-literature

Crystal structure of (E)-(benzyl-idene)(pyridin-2-ylmeth-yl)amine.

Project description:In the title mol-ecule, C13H12N2, all non-H atoms, except for those of the pyridine ring, are essentially coplanar, with an r.m.s. deviation of 0.025?Å. The mean plane of these atoms forms a dihedral angle of 80.98?(4)° with the pyridine ring. In the crystal, weak C-H?? inter-actions link the mol-ecules, forming a three-dimensional network.

| S-EPMC4719968 | biostudies-literature

N,N-Dimethyl-4-[(E)-2-(3,6,7-tribromo-9-butyl-9H-carbazol-2-yl)ethen-yl]aniline.

Project description:In the title mol-ecule, C(26)H(25)Br(3)N(2), a dihedral angle of 6.15?(10)° is present between the carbazole and benzene ring systems with an E conformation about the C=C bond [1.335?(4)?Å]. The butyl group is almost perpendicular to the carbazole plane [C-N-C-C torsion angle = -98.7?(3)°]. In the crystal, supra-molecular double chains along [-7,18,-16] are formed via C-H?Br and ?-? inter-actions [centroid(carbazole five-membered ring)?centroid(carbazole six-membered ring) distance = 3.6333?(13)?Å].

| S-EPMC3344067 | biostudies-literature

Crystal structure of 4-bromo-N-[(3,6-di-tert-butyl-9H-carbazol-1-yl)methyl-idene]aniline.

Project description:In the title compound, C27H29BrN2, the carbazole ring system is essentially planar, with an r.m.s. deviation of 0.0781?(16)?Å. An intra-molecular N-H?N hydrogen bond forms an S(6) ring motif. One of the tert-butyl substituents shows rotational disorder over two sites with occupancies of 0.592?(3) and 0.408?(3). In the crystal, two mol-ecules are associated into an inversion dimer through a pair of C-H?? inter-actions. The dimers are further linked by another pair of C-H?? inter-actions, forming a ribbon along the c-axis direction. A C-H?? inter-action involving the minor disordered component and the carbazole ring system links the ribbons, generating a network sheet parallel to (100).

| S-EPMC6775744 | biostudies-literature

Crystal structure of [tris-(pyridin-2-ylmeth-yl)amine-?(4) N]copper(II) bromide.

Project description:In the asymmetric unit of the title compound, [CuBr(C18H18N4)]Br, there are three crystallographically independent cations. One of the cations exhibits positional disorder of the pyridin-2-yl-methyl groups over two sets of sites with refined occupancies of 0.672?(8) and 0.328?(8). The outer-sphere bromine counter-ion is severely disordered over multiple sites. In each cation, the Cu(II) ion is coordinated by the four N atoms of the tris-(pyridin-2-ylmeth-yl)amine ligand and one bromine and adopts a slightly distorted trigonal-bipyramidal geometry.

| S-EPMC4908570 | biostudies-literature

Crystal structure of fac-tri-chlorido-[tris-(pyridin-2-yl-N)amine]-chromium(III).

Project description:In the neutral complex mol-ecule of the title compound, fac-[CrCl3(tpa)] [tpa is tris-(pyridin-2-yl)amine; C15H12N4], the Cr(III) ion is bonded to three N atoms that are constrained to a facial arrangement by the tpa ligand and by three chloride ligands, leading to a distorted octa-hedral coordination sphere. The average Cr-N and Cr-Cl bond lengths are 2.086 (5) and 2.296 (4) Å, respectively. The complex mol-ecule is located on a mirror plane. In the crystal, a combination of C-H⋯N and C-H⋯Cl hydrogen-bonding inter-actions connect the mol-ecules into a three-dimensional network.

| S-EPMC4331883 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of two imidazo[1,2-a]pyridine derivatives: N-tert-butyl-2-(4-meth-oxy-phen-yl)-5-methyl-imidazo[1,2-a]pyridin-3-amine and N-tert-butyl-2-[4-(di-methyl-amino)-phen-yl]imidazo[1,2-a]pyridin-3-amine.

Project description:In the title imidazo[1,2-a]pyridine derivatives, N-tert-butyl-2-(4-meth-oxy-phen-yl)-5-methyl-imidazo[1,2-a]pyridin-3-amine, C19H23N3O, (I), and N-tert-butyl-2-[4-(di-methyl-amino)-phen-yl]imidazo[1,2-a]pyridin-3-amine, C19H24N4, (II), the 4-meth-oxy-phenyl ring in (I) and the 4-(di-methyl-amino)-phenyl ring in (II) are inclined to the respective imidazole rings by 26.69?(9) and 31.35?(10)°. In the crystal of (I), mol-ecules are linked by N-H?N hydrogen bonds, forming chains propagating along the [001] direction. The chains are linked by C-H?? inter-actions, forming layers parallel to the (010) plane. In (II), the crystal packing also features N-H?N hydrogen bonds, which together with C-H?N hydrogen bonds link mol-ecules to form chains propagating along the c-axis direction. The chains are linked by C-H?? inter-actions to form layers parallel to the (100) plane. Inversion-related layers are linked by offset ?-? inter-actions [inter-centroid distance = 3.577?(1)?Å]. The inter-molecular inter-actions of both compounds were analyzed using Hirshfeld surface analysis and two-dimensional fingerprint plots.

| S-EPMC6281107 | biostudies-literature

(9H-Carbazol-9-ylmeth-yl)diethyl-amine.

Project description:The asymmetric unit of the title compound, C(17)H(20)N(2), contains two mol-ecules, whose bond lengths and angles differ only slightly. In the crystal, neighbouring mol-ecules form pillar structures via edge-to-face ?-? stacking inter-actions [edge-to-face distances = 3.538?(3) and 3.496?(3)Å].

| S-EPMC3011667 | biostudies-literature

Crystal structure of phen-yl(pyridin-2-yl)methanol.

Project description:In the title compound, C12H11NO, the pyridine and phenyl rings are inclined to each other by 71.42?(10)°. In the crystal, O-H?N hydrogen bonds link the mol-ecules into helical chains extending along the c-axis direction.

| S-EPMC4186067 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data